REMARK Name = BDB014476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.914 5.101 1.905 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 0.950 4.709 1.253 0.00 0.00 +0.251 C ATOM 3 N LIG 1 1.057 4.015 0.071 0.00 0.00 -0.310 N ATOM 4 H LIG 1 0.226 3.899 -0.500 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 2.333 3.696 -0.544 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 2.201 2.590 -1.604 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 1.206 2.998 -2.564 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 1.204 2.332 -3.274 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 1.803 1.214 -1.018 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 2.746 0.637 -0.047 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 2.171 -0.561 0.600 0.00 0.00 +0.120 C ATOM 12 C LIG 1 2.204 -1.818 -0.245 0.00 0.00 -0.030 A ATOM 13 C LIG 1 3.130 -1.960 -1.295 0.00 0.00 -0.042 A ATOM 14 C LIG 1 3.162 -3.149 -2.038 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.292 -4.195 -1.732 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.385 -4.062 -0.684 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.038 -0.814 -1.666 0.00 0.00 +0.051 C ATOM 18 C LIG 1 1.343 -2.882 0.059 0.00 0.00 +0.005 A ATOM 19 C LIG 1 4.064 0.294 -0.602 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 -0.496 4.990 1.681 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 -1.450 4.002 1.303 0.00 0.00 -0.483 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.326 2.759 1.871 0.00 0.00 +0.123 A ATOM 23 C LIG 1 -1.995 1.744 1.173 0.00 0.00 +0.073 A ATOM 24 C LIG 1 -1.891 0.429 1.651 0.00 0.00 +0.073 A ATOM 25 C LIG 1 -1.173 0.121 2.804 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.298 -1.276 2.942 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -2.004 -1.831 1.956 0.00 0.00 -0.178 NA ATOM 28 C LIG 1 -0.531 1.149 3.514 0.00 0.00 +0.015 A ATOM 29 N LIG 1 -2.375 -0.776 1.193 0.00 0.00 -0.260 N ATOM 30 C LIG 1 -0.611 2.464 3.033 0.00 0.00 +0.046 A BRANCH 29 31 ATOM 31 C LIG 1 -3.166 -1.006 -0.015 0.00 0.00 +0.110 C ATOM 32 C LIG 1 -4.535 -1.621 0.320 0.00 0.00 +0.042 C ATOM 33 C LIG 1 -5.121 -2.319 -0.900 0.00 0.00 +0.083 C ATOM 34 N LIG 1 -4.272 -3.384 -1.437 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 -4.621 -4.296 -1.141 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 -2.857 -3.278 -1.069 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -2.385 -1.829 -1.055 0.00 0.00 +0.042 C ENDBRANCH 29 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 9